Each step of the kinesin motor involves a force-generating molecular rearrangement. Although significant progress has been made in elucidating the broad features of the kinesin mechanochemical cycle, molecular details of the force generation mechanism remain a mystery. Recent molecular dynamics simulations have suggested a mechanism in which the forward drive is produced when the N-terminal cov...

In this paper we generalize a result by Rubin and Ungar on Hamiltonian systems containing a strong constraining potential to Langevin dynamics. Such highly oscillatory systems arise, for example, in the context of molecular dynamics. We derive constrained equations of motion for the slowly varying solution components. This includes in particular the derivation of a correcting force-term that st...

Force microscopy techniques including optical trapping, magnetic tweezers, and atomic force microscopy (AFM) have facilitated quantification of forces and distances on the molecular scale. However, sensitivity and stability limitations have prevented the application of these techniques to biophysical systems that generate large forces over long times, such as actin filament networks. Growth of ...

polyacrylontrile synthesis, via atom transfer radical polymerization, is studied in various initiator concentrations, transitional metal catalyst and different concentrations of cubr2. the variations of monomer conversion and the lin-earity of semi-logarithmic kinetic profile which is the evidence of living polymerization and constant radical concentration in the reaction medium, were revealed ...

styrene polymerization through frp and atrp methods was carried out at 110oc, while in-depth studies were performed by monte carlo simulation.the changes in monomer conversion, initiator concentration, average molecular weight, and polydispersity index were computed over the course of the polymerization. as the results indicate, compared to atrp, the frp reaches higher conversion in a similar r...

The calculation of the Gibbs free energy, enthalpy, and entropy of hydration of ammonia, methylamine, dimethylamine, trimethylamine, water, methanol, dimethyl ether, hydrogen sulfide, methanthiol, and dimethylsulfide is presented to illustrate the usefulness of the enthalpy and entropy of solvation in studying microscopic phenomena affecting the thermodynamics of the hydration of simple organic...

Using atomic scale interfaces consisting of slabs of the same materials, we study the relationship between adhesion and static friction. The work of separation, which is a measure of adhesion, and the spatial variation of the interface potential energy along the sliding direction are computed for both commensurate and incommensurate Al2O3/Al2O3 interfaces, and incommensurate smooth and rough Al...

We quantified the electrical polarization properties of single bacterial cells using electrostatic force microscopy. We found that the effective dielectric constant, ε(r,eff), for the four bacterial types investigated (Salmonella typhimurium, Escherchia coli, Lactobacilus sakei, and Listeria innocua) is around 3-5 under dry air conditions. Under ambient humidity, it increases to ε(r,eff) ∼ 6-7 ...